Glycoside
...
GD035041

Name:
None

Formula:
C84H115O18N15S2

Smiles:
CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(OCCOCCOCCN(CCOCCOCCNC(=S)NCCSCC[C@@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](N)C[C@@H](N)[C@H]8O[C@@H]8O[C@H](CN)[C@H](O)[C@H](O)[C@H]8N)[C@H](O)[C@H]7O[C@@H]7O[C@H](CN)[C@H](O)[C@H](O)[C@H]7N)C(=O)CCCc7ccc8ccc9cccc%10ccc7c8c9%10)cc6)nc5c4)nc3c2)CC1

Aglycone:
CCSCCNC(=S)NCCOCCOCCN(CCOCCOCCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1)C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 14
HBD: 22 FractionCSP3: 0.55
AlogP: 1.43 Num_rotatable_bonds: 40
MolWt: 1687.07 Num_heavy_atoms: 119
TPSA: 487.24 NumAromaticRings: 9

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD22199
Formula: C62H73O6N9S2

Smiles:
CCSCCNC(=S)NCCOCCOCCN(CCOCCOCCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1)C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34
HBA: 15 RingCount: 10
HBD: 4 FractionCSP3: 0.39
AlogP: 9.94 Num_rotatable_bonds: 30
MolWt: 1104.46 Num_heavy_atoms: 79
TPSA: 154.36 NumAromaticRings: 9

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O